SCHEMBL2777528

SCHEMBL2777528

O=S1(=O)N=CN(C2CC2)c2cccc(Cl)c21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.35
OPRL1 P41146 10/20 0.33
OPRM1 P35372 9/20 0.33
AADAT Q8N5Z0 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3R5 Q8WYR1 1/20 0.32
PIK3R3 Q92569 1/20 0.32
OPRD1 P41143 3/20 0.32
OPRK1 P41145 3/20 0.32
CYP2C9 P11712 1/20 0.32
GAA P10253 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
GRIA2 P42262 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2774604 0.75 GRIA2 (0.43) OPRL1OPRM1GRIA2
SCHEMBL2777119 0.73 CHRNA1 (0.31) GRIA2
SCHEMBL2777523 0.73 GRIA1 (0.33) GRIA2
SCHEMBL3080707 0.71 OPRL1 (0.30) OPRL1
SCHEMBL2777517 0.71 GRIA2 (0.48) NOTUMGRIA2
SCHEMBL2774129 0.68 CCNT1 (0.30)
SCHEMBL2776571 0.68 CCNT1 (0.33)
SCHEMBL2775031 0.68 CCNT1 (0.33)
SCHEMBL2775782 0.68 CCNT1 (0.33)
SCHEMBL2777423 0.66 GRIA1 (0.37) NOTUMPIK3CAGAAGRIA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2147915-B1 New cycloalkylated benzothiadiazine derivatives, method of preparing same and pharmaceutical compositions containing them SERVIER LAB (FR) 2010-09-15 EP disclosed
US-7741320-B2 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-06-22 US disclosed
EP-2147915-A1 New cycloalkylated benzothiadiazine derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2010-01-27 EP disclosed
US-20100009974-A1 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compostions containing them LES LABORATOIRES SERVIER (FR) 2010-01-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100009974-A1 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compostions containing them ACLY, HCAR1, GABRG1 NOTUM 1472/4885OPRL1 54/4885OPRM1 169/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.